REMARK VINA RESULT: 15.3 1.668 3.000 REMARK 9 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_7 REMARK 2 A between atoms: O_1 and C_11 REMARK 3 A between atoms: O_2 and C_13 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_6 REMARK 6 A between atoms: C_5 and C_7 REMARK 7 A between atoms: C_8 and C_11 REMARK 8 A between atoms: C_9 and C_16 REMARK 9 A between atoms: C_13 and C_14 ROOT ATOM 1 C UNL d 1 21.277 -5.504 1.376 0.00 0.00 0.055 A ATOM 2 C UNL d 1 22.027 -4.770 0.444 0.00 0.00 0.055 A ATOM 3 C UNL d 1 19.957 -5.873 1.080 0.00 0.00 0.018 A ATOM 4 C UNL d 1 21.416 -4.356 -0.748 0.00 0.00 0.018 A ATOM 5 C UNL d 1 19.366 -5.470 -0.119 0.00 0.00 0.001 A ATOM 6 C UNL d 1 20.089 -4.700 -1.026 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 23.439 -4.373 0.659 0.00 0.00 0.294 C ATOM 8 O UNL d 1 24.238 -5.074 1.262 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 23.662 -3.136 0.159 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 25.026 -2.824 -0.166 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 25.283 -3.299 -1.569 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 24.209 -3.597 -2.418 0.00 0.00 0.009 A ATOM 13 C UNL d 1 24.431 -4.252 -3.627 0.00 0.00 0.001 A ATOM 14 C UNL d 1 25.727 -4.603 -4.001 0.00 0.00 0.000 A ATOM 15 C UNL d 1 26.807 -4.254 -3.194 0.00 0.00 0.001 A ATOM 16 C UNL d 1 26.588 -3.596 -1.984 0.00 0.00 0.009 A ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 2 7 BRANCH 1 17 ATOM 17 C UNL d 1 21.770 -5.834 2.735 0.00 0.00 0.294 C ATOM 18 O UNL d 1 21.983 -5.006 3.600 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 22.073 -7.150 2.755 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 21.161 -8.036 3.418 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 20.407 -8.813 2.342 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 18.920 -8.921 2.687 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 18.313 -10.240 2.244 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9